[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol

C12H17F3N4O — CID 102720689

IUPAC[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
SMILESNNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19)
InChIKeyMJAWSAXNEIAYNU-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.10
Rot. Bonds4

About [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol

[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol (PubChem CID 102720689) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
PubChem CID102720689
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
SMILESNNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19)
InChIKeyMJAWSAXNEIAYNU-UHFFFAOYSA-N
XLogP2.10
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(6-hydrazinylpyrazin-2-yl)amino]cyclopentyl]methanol
CID 80919449
6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719321
[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
CID 62520440
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80957689
2-N-methyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718696
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720779
[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80957612
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737

Frequently Asked Questions

What is the IUPAC name of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol (CID 102720689) is [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol is NNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The InChIKey is MJAWSAXNEIAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19).
What are the key properties of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 102720689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).